REMARK Name = BDB032733 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.082 -2.571 -1.240 0.00 0.00 -0.445 OA ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 1.787 -1.415 -1.352 0.00 0.00 -0.251 N ATOM 3 H LIG 1 1.677 -1.573 -0.360 0.00 0.00 +0.158 HD ATOM 4 C LIG 1 0.770 -1.948 -2.094 0.00 0.00 +0.405 C ATOM 5 O LIG 1 0.618 -1.893 -3.304 0.00 0.00 -0.226 OA BRANCH 2 10 ATOM 6 C LIG 1 6.422 1.588 -2.915 0.00 0.00 +0.049 C ATOM 7 C LIG 1 5.201 0.803 -2.508 0.00 0.00 +0.010 A ATOM 8 C LIG 1 4.929 0.525 -1.155 0.00 0.00 +0.127 A ATOM 9 C LIG 1 3.792 -0.219 -0.812 0.00 0.00 +0.069 A ATOM 10 C LIG 1 2.902 -0.679 -1.792 0.00 0.00 +0.041 A ATOM 11 C LIG 1 3.162 -0.394 -3.129 0.00 0.00 +0.044 A ATOM 12 C LIG 1 4.300 0.338 -3.483 0.00 0.00 +0.049 A ATOM 13 CL LIG 1 4.555 0.644 -5.168 0.00 0.00 -0.083 Cl BRANCH 8 14 ATOM 14 O LIG 1 5.845 0.995 -0.252 0.00 0.00 -0.491 OA BRANCH 14 15 ATOM 15 C LIG 1 5.529 1.007 1.144 0.00 0.00 +0.234 C BRANCH 15 16 ATOM 16 C LIG 1 6.043 -0.271 1.824 0.00 0.00 +0.041 C ATOM 17 C LIG 1 5.670 -0.319 3.298 0.00 0.00 +0.087 C ATOM 18 N LIG 1 6.696 0.509 3.922 0.00 0.00 -0.316 NA ATOM 19 H LIG 1 6.751 0.335 4.925 0.00 0.00 +0.122 HD ATOM 20 C LIG 1 7.954 0.149 3.265 0.00 0.00 +0.081 C ATOM 21 C LIG 1 7.574 -0.314 1.861 0.00 0.00 +0.023 C ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 2 10 ENDBRANCH 1 4 BRANCH 1 22 ATOM 22 C LIG 1 -1.249 -3.152 -1.834 0.00 0.00 +0.269 C BRANCH 22 23 ATOM 23 C LIG 1 -2.409 -2.201 -1.675 0.00 0.00 -0.010 A ATOM 24 C LIG 1 -3.153 -2.187 -0.486 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -4.183 -1.272 -0.385 0.00 0.00 +0.042 A ATOM 26 C LIG 1 -5.106 -1.042 0.732 0.00 0.00 +0.248 C ATOM 27 N LIG 1 -5.993 -0.057 0.324 0.00 0.00 -0.282 N ATOM 28 C LIG 1 -5.633 0.500 -0.974 0.00 0.00 +0.144 C ATOM 29 O LIG 1 -5.071 -1.625 1.799 0.00 0.00 -0.270 OA ATOM 30 C LIG 1 -4.497 -0.369 -1.398 0.00 0.00 -0.018 A ATOM 31 C LIG 1 -3.767 -0.361 -2.572 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -2.719 -1.282 -2.705 0.00 0.00 +0.007 A BRANCH 27 33 ATOM 33 C LIG 1 -6.894 0.603 1.261 0.00 0.00 +0.163 C ATOM 34 C LIG 1 -6.295 1.902 1.827 0.00 0.00 +0.240 C ATOM 35 O LIG 1 -5.120 2.240 1.703 0.00 0.00 -0.273 OA ATOM 36 N LIG 1 -7.180 2.709 2.506 0.00 0.00 -0.255 N ATOM 37 H LIG 1 -6.783 3.568 2.862 0.00 0.00 +0.158 HD ATOM 38 C LIG 1 -8.540 2.737 2.329 0.00 0.00 +0.219 C ATOM 39 O LIG 1 -9.205 3.706 2.683 0.00 0.00 -0.275 OA ATOM 40 C LIG 1 -9.166 1.514 1.701 0.00 0.00 +0.098 C ATOM 41 C LIG 1 -8.254 0.913 0.642 0.00 0.00 +0.041 C ENDBRANCH 27 33 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 8